Gregory R. Bowman, Ph.D.

Assistant Professor
Biochemistry and Molecular Biophysics

Biochemistry, Biophysics, and Structural Biology Program
Computational and Systems Biology Program

  • 314-362-7433

  • 8231

  • 2917 South Building

  • bowman@biochem.wustl.edu

  • http://bowmanlab.biochem.wustl.edu/

  • Combining simulation and experiment to understand protein conformational changes, their role in signaling, and opportunities they present for drug design

Research Abstract:

We combine simulation and experiment to understand the conformational changes proteins undergo and how these changes allow information to flow, both within single proteins and within networks of interacting proteins. Two major application areas are (1) understanding hidden allosteric sites and the opportunities they present for drug design and (2) understanding the molecular mechanisms of vision, especially the origins of inherited forms of blindness. To facilitate these applications, we also develop enhanced sampling algorithms for simulating long timescale dynamics of proteins and nucleic acids.

Selected Publications:

Hart KM, Ho CMW, Duta S, Gross ML, Bowman GR. Modeling proteins’ hidden conformations to predict antibiotic resistance. Nat Commun 2016;7:12965.

Zimmerman MI, Bowman GR. FAST conformational searches by balancing exploration/exploitation tradeoffs. J Chem Theory Comput 2015;11:5747-5757.

Bowman GR, Bolin ER, Hart KM, Maguire BC, Marqusee S. Discovery of multiple hidden allosteric sites by combining Markov state models and experiments. Proc Natl Acad Sci U S A, 2015:112;2734-2739.

Kohlhoff KJ, Shukla D, Lawrenz M, Bowman GR, Konerding DE, Belov D, Altman RB, Pande VS. Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways. Nature Chemistry, 2014;6:15-21.

Bowman GR, Geissler PL. Equilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites. Proc Natl Acad Sci U S A 2012;29:11681-11686.

Last Updated: 11/4/2016 9:35:55 AM

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